SCHEMBL3688971

SCHEMBL3688971

CCn1cccc(-c2ccc([N+](=O)[O-])cc2OC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PTPRC P08575 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ S100A4 P26447 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3749585 0.84 HTT (0.49) HTTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL8105281 0.80 THRB (0.44) HTTTDP1ALDH1A1CYP3A4THRB
SCHEMBL3680545 0.72 HTT (0.50) HTTTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9682129 0.71 ALDH1A1 (0.36) HTTTDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL11824740 0.70 ALDH1A1 (0.44) ALDH1A1LMNAMAPT
SCHEMBL3185913 0.70 HTT (0.58) HTTTDP1L3MBTL1ALDH1A1PKM
SCHEMBL3135299 0.70 HTT (0.45) HTTTDP1ALDH1A1RECQLKMT2A
SCHEMBL15486795 0.68 HTT (0.56) HTTTDP1L3MBTL1ALDH1A1RECQL
SCHEMBL3644648 0.68 L3MBTL1 (0.52) HTTTDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL3681334 0.68 HTT (0.43) HTTTDP1L3MBTL1ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198267-B2 Substituted oxazolidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
US-8198267-B2 Substituted oxazolidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
US-8198267-B2 Substituted oxazolidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
EP-2167499-B1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2011-12-14 — — EP disclosed
US-20100298293-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE BAYER SCHERING PHARMA ATIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
US-20100298293-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE BAYER SCHERING PHARMA ATIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
US-20100298293-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE BAYER SCHERING PHARMA ATIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
EP-2167499-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF Bayer Schering Pharma AG (DE) 2010-03-31 — — EP disclosed
WO-2008155069-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — WO disclosed
WO-2008155069-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298293-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE XDH, OXA1L, PPOX HTT 3083/4885TDP1 2148/4885L3MBTL1 2675/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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